SCHEMBL7877092

SCHEMBL7877092

CC(C)(COc1ccc(C(F)(F)F)cc1)NCCCn1ccnc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.67
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 1/20 0.57
HMOX1 P09601 1/20 0.55
ATP4A P20648 1/20 0.50
ATP4B P51164 1/20 0.50
QPCT Q16769 3/20 0.48
GAA P10253 2/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7868648 0.89 KMT2A (0.53) NOS1KMT2AMEN1POLBQPCT
SCHEMBL7868710 0.87 QPCT (0.64) NOS1KMT2AMEN1POLBQPCT
SCHEMBL7877352 0.87 KMT2A (0.63) NOS1KMT2AMEN1POLBQPCT
SCHEMBL7873818 0.86 PKM (0.59) NOS1KMT2AMEN1POLBQPCT
SCHEMBL7873758 0.86 TBXAS1 (0.56) KMT2AMEN1POLBQPCTGAA
Hydrochloric Acid SCHEMBL7873740 0.85 KMT2A (0.64) KMT2AMEN1POLBQPCTGAA
Hydrochloric Acid SCHEMBL7903386 0.85 PKM (0.58) NOS1KMT2AMEN1POLBQPCT
SCHEMBL7868600 0.84 QPCT (0.53) NOS1KMT2AMEN1POLBQPCT
Hydrochloric Acid SCHEMBL7877310 0.83 QPCT (0.51) NOS1KMT2AMEN1POLBQPCT
SCHEMBL7877344 0.82 TBXAS1 (0.53) NOS1KMT2AMEN1POLBQPCT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed